Intrinsic piezoelectricity in monolayer MSi2N4 (M = Mo, W, Cr, Ti, Zr and Hf)

doi:10.1209/0295-5075/132/57002

IMR OpenIR

	Intrinsic piezoelectricity in monolayer MSi2N4 (M = Mo, W, Cr, Ti, Zr and Hf)
	Guo, San-Dong 1,2; Zhu, Yu-Tong 1; Mu, Wen-Qi 1; Ren, Wen-Cai 3,4
通讯作者	Guo, San-Dong(sandongyuwang@163.com)
	2020-12-01
发表期刊	EPL
ISSN	0295-5075
卷号	132 期号:5 页码:6
摘要	Motived by experimentally synthesized (Hong Y. L. et al., Science, 369 (2020) 670), the intrinsic piezoelectricity in monolayer ( , W, Cr, Ti, Zr and Hf) are studied by density functional theory (DFT). Among the six monolayers, has the best piezoelectric strain coefficient d(11) of 1.24 pm/V, and the second is 1.15 pm/V for . Taking as a example, strain engineering is applied to improve d(11). It is found that tensile biaxial strain can enhance d(11) of , and the d(11) at 4% strain can improve by 107% with respect to the unstrained one. By replacing the N by P or As in , the d(11) can be raised substantially. For and , the d(11) is as high as 4.93 pm/V and 6.23 pm/V, which is mainly due to smaller and very small minus or positive ionic contribution to piezoelectric stress coefficient e(11) with respect to . The discovery of this piezoelectricity in monolayer enables active sensing, actuating and new electronic components for nanoscale devices, and is recommended for experimental exploration.
关键词	71 20 -b 77 65 -j
资助者	Natural Science Foundation of Shaanxi Provincial Department of Education ; Advanced Analysis and Computation Center of China University of Mining and Technology (CUMT)
DOI	10.1209/0295-5075/132/57002
收录类别	SCI
语种	英语
资助项目	Natural Science Foundation of Shaanxi Provincial Department of Education[19JK0809] ; Advanced Analysis and Computation Center of China University of Mining and Technology (CUMT)
WOS研究方向	Physics
WOS类目	Physics, Multidisciplinary
WOS记录号	WOS:000614620700002
出版者	IOP PUBLISHING LTD
引用统计	被引频次：78[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/159112
专题	中国科学院金属研究所
通讯作者	Guo, San-Dong
作者单位	1.Xian Univ Posts & Telecommun, Sch Elect Engn, Xian 710121, Peoples R China 2.Xian Univ Posts & Telecommun, Key Lab Adv Semicond Devices & Mat, Xian 710121, Peoples R China 3.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Liaoning, Peoples R China 4.Univ Sci & Technol China, Sch Mat Sci & Engn, Shenyang 110016, Peoples R China
推荐引用方式 GB/T 7714	Guo, San-Dong,Zhu, Yu-Tong,Mu, Wen-Qi,et al. Intrinsic piezoelectricity in monolayer MSi2N4 (M = Mo, W, Cr, Ti, Zr and Hf)[J]. EPL,2020,132(5):6.
APA	Guo, San-Dong,Zhu, Yu-Tong,Mu, Wen-Qi,&Ren, Wen-Cai.(2020).Intrinsic piezoelectricity in monolayer MSi2N4 (M = Mo, W, Cr, Ti, Zr and Hf).EPL,132(5),6.
MLA	Guo, San-Dong,et al."Intrinsic piezoelectricity in monolayer MSi2N4 (M = Mo, W, Cr, Ti, Zr and Hf)".EPL 132.5(2020):6.